N-ethyl-2-(methylamino)acetamide

• ChemBase ID: 263818
• Molecular Formular: C5H12N2O
• Molecular Mass: 116.16158
• Monoisotopic Mass: 116.09496301
• SMILES: C(=O)(NCC)CNC
• Canonical SMILES: CNCC(=O)NCC
• InChI: InChI=1S/C5H12N2O/c1-3-7-5(8)4-6-2/h6H,3-4H2,1-2H3,(H,7,8)
• InChIKey: UFCBSRMTKKKHRE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-2-(methylamino)acetamide
• IUPAC Traditional name: N-ethyl-2-(methylamino)acetamide
• Synonyms: N-ethyl-2-(methylamino)acetamide

Database IDs

• MDL Number: MFCD06658938
• PubChem SID: 164319728
• PubChem CID: 16210983

CALCULATED PROPERTIES

• Acid pKa: 16.13374
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.912543
• LogD (pH = 7.4): -2.3560941
• Log P: -0.94135374
• Molar Refractivity: 32.2455 cm^3
• Polarizability: 12.678941 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.735

Product Information

• Purity: 95%